Vitas-M small molecule compound
2-({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(thiophen-2-ylmethyl)acetamide
Catalog ID
STL002695
SMILES O=C(NCc1cccs1)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C
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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 C28H38N2O3S MW 482.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O3S/c1-18(31)23-8-9-24-22-7-6-19-15-20(10-12-27(19,2)25(22)11-13-28(23,24)3)30-33-17-26(32)29-16-21-5-4-14-34-21/h4-5,14-15,22-25H,6-13,16-17H2,1-3H3,(H,29,32)/b30-20+/t22?,23?,24?,25?,27-,28+/m0/s1InChIKey
XLWMRUYWHMZZTI-QFNHMAMYSA-NSynonyms
2((((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(thiophen2ylmethyl)acetamide
2((((3E8XI9XI14XI17XI)20OXOPREGN4EN3YLIDENE)AMINO)OXY)N(THIOPHEN2YLMETHYL)ACETAMIDE
2((E)((10R13S)17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyN(thiophen2ylmethyl)acetamide
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=NOCC(=O)NCC5=CC=CS5)CCC34C)C
InChI=1SC28H38N2O3Sc118(31)2389242276191520(101227(192)25(22)111328(2324)3)30331726(32)29162154143421h4514152225H6131617H213H3(H2932)b3020+t22?23?24?25?2728+m0s1
MFCD04143499
O=C(NCc1cccs1)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C
ZINC000008917715
ZINC000257173805
Check stock
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Check stock on Vitas-MAvailable files
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