Vitas-M small molecule compound
methyl (2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]alanyl}imino)-5-methyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL544168
SMILES COC(=O)c1[nH]/c(=N/C(=O)C(Nc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)C)/sc1C
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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 C30H34N4O8S MW 610.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O8S/c1-14(28(37)34-30-33-25(15(2)43-30)29(38)42-7)31-21-11-9-18-19(13-22(21)36)20(32-16(3)35)10-8-17-12-23(39-4)26(40-5)27(41-6)24(17)18/h9,11-14,20H,8,10H2,1-7H3,(H,31,36)(H,32,35)(H,33,34,37)InChIKey
LQYHKTLSOCYXPC-UHFFFAOYSA-NSynonyms
110209840
InChI=1SC30H34N4O8Sc114(28(37)34303325(15(2)4330)29(38)427)31211191819(1322(21)36)20(3216(3)35)108171223(394)26(405)27(416)24(17)18h9111420H810H217H3(H3136)(H3235)(H333437)
methyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)alanyl)imino)5methyl23dihydro13thiazole4carboxylate
methyl2(2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoylamino)5methyl13thiazole4carboxylate
MFCD31755996
ZINC000217648099
ZINC000252537583
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