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]isoleucyl}imino)-5-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate

Catalog ID
STL541957
SMILES CCC(C(C(=O)/N=c\1/[nH]c(c(s1)c1ccccc1)C(=O)OC)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C38H42N4O8S MW 714.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H42N4O8S/c1-8-20(2)31(36(45)42-38-41-32(37(46)50-7)35(51-38)22-12-10-9-11-13-22)40-27-17-15-24-25(19-28(27)44)26(39-21(3)43)16-14-23-18-29(47-4)33(48-5)34(49-6)30(23)24/h9-13,15,17-20,26,31H,8,14,16H2,1-7H3,(H,39,43)(H,40,44)(H,41,42,45)
InChIKey
JYRLHZSQUXTFGH-UHFFFAOYSA-N
Synonyms

75356983
InChI=1SC38H42N4O8Sc1820(2)31(36(45)42384132(37(46)507)35(5138)2212109111322)402717152425(1928(27)44)26(3921(3)43)1614231829(474)33(485)34(496)30(23)24h9131517202631H81416H217H3(H3943)(H4044)(H414245)
methyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)isoleucyl)imino)5phenyl23dihydro13thiazole4carboxylate
methyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)5phenyl13thiazole4carboxylate
MFCD31755475
ZINC000206250978
ZINC000253369929

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Available files

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