Vitas-M small molecule compound
4-{[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoic acid
Catalog ID
STL002138
SMILES O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C)NCC(c1ccccc1)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 C33H44N2O5 MW 548.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O5/c1-21(36)27-11-12-28-26-10-9-24-18-25(13-15-32(24,2)29(26)14-16-33(27,28)3)35-40-20-30(37)34-19-23(17-31(38)39)22-7-5-4-6-8-22/h4-8,18,23,26-29H,9-17,19-20H2,1-3H3,(H,34,37)(H,38,39)/b35-25+/t23?,26?,27?,28?,29?,32-,33+/m0/s1InChIKey
APYIVIUDKTVWSJ-OXLHPIGCSA-NSynonyms
4((((((3E8XI9XI14XI17XI)20OXOPREGN4EN3YLIDENE)AMINO)OXY)ACETYL)AMINO)3PHENYLBUTANOICACID
4((2((E)((10R13S)17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylbutanoicacid
4(2((((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3phenylbutanoicacid
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=NOCC(=O)NCC(CC(=O)O)C5=CC=CC=C5)CCC34C)C
InChI=1SC33H44N2O5c121(36)2711122826109241825(131532(242)29(26)141633(2728)3)35402030(37)341923(1731(38)39)227546822h4818232629H9171920H213H3(H3437)(H3839)b3525+t23?26?27?28?29?3233+m0s1
MFCD04143311
O=C(CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C)NCC(c1ccccc1)CC(=O)O
ZINC000253498577
ZINC000253498582
Check stock
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