Vitas-M small molecule compound
3-({N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valyl}amino)-4-sulfanylbutanoic acid
Catalog ID
STL528234
SMILES SCC(NC(=O)C(C(C)C)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C)CC(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H47N3O6S MW 601.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H47N3O6S/c1-6-32(40)14-11-25-23-8-7-20-15-21(9-12-30(20,4)24(23)10-13-31(25,32)5)35-41-17-26(36)34-28(19(2)3)29(39)33-22(18-42)16-27(37)38/h1,15,19,22-25,28,40,42H,7-14,16-18H2,2-5H3,(H,33,39)(H,34,36)(H,37,38)/b35-21+/t22?,23?,24?,25?,28?,30-InChIKey
OHPFWUCPFOYCAG-PVRCWKBNSA-NSynonyms
16398484
3((2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)amino)4sulfanylbutanoicacid
3((N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valyl)amino)4sulfanylbutanoicacid
3(2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanamido)4mercaptobutanoicacid
InChI=1SC32H47N3O6Sc1632(40)1411252387201521(91230(204)24(23)101331(2532)5)35411726(36)3428(19(2)3)29(39)3322(1842)1627(37)38h115192225284042H7141618H225H3(H3339)(H3436)(H3738)b3521+t22?23?24?25?28?303132+m0s1
MFCD03849947
SCC(NC(=O)C(C(C)C)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C)CC(=O)O
ZINC000070680356
ZINC000253522722
Check stock
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